ethyl 2-[6-bromanyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H18BrN3O3S2 MolecularWeight: 552.46272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H18BrN3O3S2/c1-2-32-23(30)14-29-20-10-9-15(26)12-22(20)34-25(29)28-24(31)17-13-19(21-8-5-11-33-21)27-18-7-4-3-6-16(17)18/h3-13H,2,14H2,1H3